==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-APR-12 3VRM . COMPND 2 MOLECULE: VITAMIN D(3) 25-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDONOCARDIA AUTOTROPHICA; . AUTHOR T.NISHIOKA,Y.YASUTAKE,T.TAMURA . 402 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 0 1 1 2 3 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 145 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.4 49.0 6.3 34.3 2 3 A L + 0 0 168 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.977 360.0 162.0-140.3 136.3 47.0 6.1 37.5 3 4 A T - 0 0 140 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.896 29.9-152.8-147.1 170.8 43.2 6.5 37.5 4 5 A T - 0 0 141 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.966 27.3-123.8-146.5 146.9 39.9 6.0 39.2 5 6 A T - 0 0 140 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.822 16.4-158.0 -99.8 129.9 36.5 5.6 37.5 6 7 A G - 0 0 80 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.913 6.8-168.2-103.3 125.3 33.5 7.8 38.2 7 8 A T + 0 0 142 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.803 8.9 173.8-103.6 156.5 30.0 6.6 37.5 8 9 A E - 0 0 148 -2,-0.3 2,-0.6 2,-0.0 -2,-0.0 -0.799 16.5-155.0-165.2 110.4 27.0 8.9 37.5 9 10 A Q - 0 0 180 -2,-0.3 2,-0.3 18,-0.0 15,-0.1 -0.878 15.6-157.5-102.1 125.1 23.5 7.9 36.5 10 11 A H - 0 0 56 -2,-0.6 2,-0.2 13,-0.1 5,-0.0 -0.720 22.1-106.0-102.8 142.8 21.2 10.8 35.2 11 12 A D - 0 0 69 -2,-0.3 2,-0.7 3,-0.1 13,-0.1 -0.458 27.2-147.2 -64.9 131.1 17.5 11.0 35.1 12 13 A L S S- 0 0 48 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.895 78.5 -17.7-104.5 103.7 16.0 10.7 31.6 13 14 A F S S+ 0 0 23 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.814 126.4 65.7 71.6 34.2 12.9 12.8 31.3 14 15 A S S > S+ 0 0 56 -3,-0.1 3,-2.0 0, 0.0 -1,-0.3 -0.929 92.3 4.1-159.5 178.1 12.2 13.3 35.0 15 16 A G G > S+ 0 0 56 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 -0.070 130.5 3.1 46.4-120.5 13.9 15.0 38.0 16 17 A T G >> S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.672 111.1 86.2 -74.1 -20.0 17.0 16.9 37.1 17 18 A F G <4 S+ 0 0 7 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.854 90.0 50.5 -48.3 -42.6 16.7 16.3 33.3 18 19 A W G <4 S+ 0 0 35 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.809 109.4 50.5 -67.1 -35.1 14.4 19.3 33.0 19 20 A Q T <4 S- 0 0 67 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.954 138.5 -8.6 -67.2 -51.0 16.8 21.5 34.8 20 21 A N < + 0 0 75 -4,-2.4 4,-0.4 1,-0.1 -1,-0.3 -0.790 61.2 174.9-152.7 105.3 19.8 20.5 32.6 21 22 A P > + 0 0 2 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.667 62.1 87.7 -84.5 -19.2 19.5 17.6 30.1 22 23 A H H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.854 86.0 49.6 -56.6 -44.3 23.0 17.9 28.5 23 24 A P H > S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.909 113.7 48.6 -61.9 -37.7 24.9 15.7 30.9 24 25 A A H > S+ 0 0 5 -4,-0.4 4,-1.5 -3,-0.3 -2,-0.2 0.950 113.1 47.4 -59.9 -49.3 22.2 13.1 30.4 25 26 A Y H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.849 109.5 54.3 -57.9 -38.3 22.5 13.5 26.6 26 27 A A H X S+ 0 0 33 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.865 106.4 49.7 -69.9 -39.0 26.3 13.3 26.8 27 28 A A H X S+ 0 0 46 -4,-1.9 4,-1.8 -5,-0.2 5,-0.4 0.853 110.3 54.8 -63.0 -35.2 26.3 10.0 28.6 28 29 A L H X S+ 0 0 9 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.954 103.6 50.7 -66.1 -54.1 23.8 8.8 25.9 29 30 A R H < S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.4 40.1 -49.1 -46.2 25.9 9.6 22.8 30 31 A A H < S+ 0 0 65 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.850 134.7 12.9 -77.7 -36.1 29.0 7.8 24.2 31 32 A E H < S+ 0 0 172 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.561 136.7 23.5-120.2 -13.7 27.5 4.7 25.8 32 33 A D < + 0 0 50 -4,-2.7 3,-0.2 -5,-0.4 -2,-0.1 -0.390 61.2 157.6-156.7 63.3 23.8 4.4 24.7 33 34 A P S S+ 0 0 18 0, 0.0 15,-1.8 0, 0.0 2,-0.6 0.768 74.9 43.5 -72.7 -28.2 23.3 6.2 21.3 34 35 A V E S+A 47 0A 6 13,-0.2 2,-0.5 263,-0.1 13,-0.2 -0.838 83.6 178.9-118.6 90.4 20.1 4.3 20.2 35 36 A R E -A 46 0A 93 11,-2.5 11,-1.4 -2,-0.6 2,-0.5 -0.842 28.3-143.2-113.6 119.9 18.0 4.0 23.3 36 37 A K E -A 45 0A 108 -2,-0.5 2,-0.7 9,-0.2 9,-0.2 -0.631 23.3-153.2 -71.3 118.3 14.5 2.5 23.8 37 38 A L E -A 44 0A 8 7,-1.1 2,-2.3 -2,-0.5 7,-1.2 -0.859 10.1-148.8-102.7 109.9 12.6 4.7 26.3 38 39 A A E +A 43 0A 104 -2,-0.7 4,-0.0 5,-0.2 -2,-0.0 -0.518 32.0 173.3 -71.3 76.8 9.9 3.1 28.4 39 40 A L E > -A 42 0A 47 -2,-2.3 3,-1.0 3,-0.5 -26,-0.0 -0.536 48.0-109.0 -78.6 155.8 7.8 6.2 28.6 40 41 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.570 120.9 59.8 -69.7 -4.3 4.3 5.7 30.3 41 42 A D T 3 S- 0 0 136 1,-0.4 -2,-0.1 3,-0.0 -3,-0.0 -0.292 126.1 -87.1-107.1 44.5 2.8 6.2 26.8 42 43 A G E < S-A 39 0A 31 -3,-1.0 -3,-0.5 -4,-0.0 -1,-0.4 0.203 70.4 -31.7 70.9 167.0 4.8 3.1 25.5 43 44 A P E +A 38 0A 44 0, 0.0 263,-0.4 0, 0.0 2,-0.3 -0.162 50.7 178.8 -58.0 140.1 8.3 2.8 24.0 44 45 A V E -A 37 0A 12 -7,-1.2 -7,-1.1 261,-0.1 263,-0.2 -0.925 22.2-135.9-142.7 116.6 9.9 5.7 22.0 45 46 A W E -Ab 36 307A 26 261,-2.4 263,-3.5 -2,-0.3 2,-0.4 -0.393 14.2-154.3 -76.0 151.1 13.4 5.3 20.6 46 47 A L E -Ab 35 308A 0 -11,-1.4 -11,-2.5 261,-0.2 2,-0.5 -0.987 6.4-163.0-133.6 122.4 16.0 8.1 20.9 47 48 A L E +Ab 34 309A 2 261,-1.8 263,-3.2 -2,-0.4 267,-0.2 -0.906 14.0 170.1-104.0 128.8 19.0 8.7 18.6 48 49 A T + 0 0 0 -15,-1.8 2,-0.2 -2,-0.5 -19,-0.2 0.639 42.8 95.1-117.6 -20.4 21.7 11.0 20.1 49 50 A R > - 0 0 73 -16,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.540 69.8-132.0 -75.6 141.6 24.8 10.8 17.8 50 51 A Y H > S+ 0 0 27 264,-0.3 4,-3.0 -2,-0.2 3,-0.4 0.978 104.2 47.1 -53.6 -73.6 25.2 13.5 15.1 51 52 A A H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 115.6 48.7 -32.5 -51.8 26.0 11.2 12.1 52 53 A D H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 112.5 45.4 -62.9 -47.3 23.1 9.0 13.1 53 54 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 -3,-0.4 -2,-0.2 0.926 113.3 51.6 -60.7 -46.2 20.5 11.8 13.5 54 55 A R H X S+ 0 0 76 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.925 112.9 44.2 -55.9 -49.4 21.7 13.3 10.2 55 56 A E H >< S+ 0 0 100 -4,-2.6 3,-0.9 -5,-0.3 4,-0.3 0.878 110.7 55.3 -66.9 -39.4 21.3 10.0 8.3 56 57 A A H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.854 98.1 62.6 -61.1 -40.0 17.9 9.3 9.9 57 58 A F H 3< S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.3 287,-0.2 0.727 115.6 31.8 -59.9 -25.6 16.5 12.6 8.8 58 59 A V T << S+ 0 0 80 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.260 87.9 118.1-113.9 8.4 17.0 11.5 5.2 59 60 A D X - 0 0 11 -3,-1.1 3,-2.5 -4,-0.3 -3,-0.0 -0.674 53.2-156.1 -79.5 106.6 16.4 7.8 5.7 60 61 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.693 89.6 70.2 -59.4 -18.7 13.3 7.0 3.6 61 62 A R T 3 S+ 0 0 80 1,-0.2 230,-2.8 230,-0.1 231,-0.8 0.419 84.5 78.4 -75.9 -0.1 12.6 4.0 5.8 62 63 A L E < S-C 290 0A 14 -3,-2.5 228,-0.2 228,-0.2 -1,-0.2 -0.745 72.9-171.5-113.3 82.7 11.7 6.5 8.6 63 64 A S E -C 289 0A 4 226,-1.1 226,-3.7 -2,-0.6 -2,-0.1 -0.249 35.0-142.0 -75.3 156.0 8.2 7.7 7.8 64 65 A K S S+ 0 0 10 224,-0.2 2,-0.7 -2,-0.0 -1,-0.1 0.250 75.1 108.7 -88.4 8.4 6.0 10.5 9.4 65 66 A D > - 0 0 23 224,-0.2 3,-1.8 1,-0.1 -2,-0.1 -0.810 56.9-160.5 -99.6 110.3 3.0 8.1 8.9 66 67 A W G > S+ 0 0 89 -2,-0.7 3,-1.3 14,-0.5 4,-0.4 0.561 81.9 81.2 -66.5 -10.5 1.6 6.6 12.2 67 68 A R G 3 S+ 0 0 53 1,-0.2 -1,-0.3 13,-0.2 7,-0.1 0.521 71.2 80.6 -75.3 -3.6 -0.0 3.8 10.4 68 69 A H G < S+ 0 0 37 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.682 84.5 61.7 -74.7 -17.8 3.3 2.0 10.3 69 70 A T S < S+ 0 0 68 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.893 96.5 70.0 -66.8 -44.9 2.6 0.9 13.8 70 71 A L S S- 0 0 47 -4,-0.4 5,-0.1 1,-0.1 234,-0.0 -0.490 101.1 -91.7 -76.8 143.7 -0.5 -1.0 12.6 71 72 A P > - 0 0 75 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.239 45.9 -97.3 -54.4 142.5 -0.1 -4.2 10.5 72 73 A E G > S+ 0 0 155 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.661 118.1 54.1 -25.1 -51.6 -0.1 -3.8 6.7 73 74 A D G 3 S+ 0 0 134 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.629 101.4 57.5 -72.5 -18.6 -3.8 -4.6 6.1 74 75 A Q G < S+ 0 0 88 -3,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.380 79.5 91.4 -94.7 2.4 -5.3 -2.1 8.5 75 76 A R S < S+ 0 0 49 -3,-1.1 3,-0.5 -4,-0.3 -1,-0.2 0.817 83.7 52.1 -69.8 -33.3 -3.6 1.0 6.8 76 77 A A S S+ 0 0 96 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.957 102.8 58.5 -62.2 -52.1 -6.6 1.7 4.5 77 78 A D S S+ 0 0 153 -4,-0.3 -1,-0.2 2,-0.0 -2,-0.2 0.607 102.6 63.3 -56.0 -17.5 -9.2 1.7 7.3 78 79 A M S S- 0 0 78 -4,-0.5 -11,-0.1 -3,-0.5 2,-0.0 -0.764 87.1 -99.5-120.4 153.5 -7.5 4.6 9.2 79 80 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.352 26.0-129.3 -68.8 152.2 -6.7 8.3 8.7 80 81 A A S S+ 0 0 35 1,-0.1 -14,-0.5 -14,-0.1 -13,-0.2 0.684 87.3 19.2 -71.1 -20.9 -3.1 9.2 7.6 81 82 A T - 0 0 16 -16,-0.1 -1,-0.1 1,-0.1 -16,-0.1 -0.970 65.0-127.5-147.5 156.1 -2.8 11.8 10.4 82 83 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.806 113.5 4.4 -71.5 -26.4 -4.3 12.9 13.8 83 84 A T S S- 0 0 14 2,-0.1 2,-3.3 -3,-0.1 5,-0.1 -0.936 91.8-108.2-157.6 127.9 -4.6 16.3 12.1 84 85 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 144,-0.2 -0.217 62.2 149.3 -67.6 60.0 -3.6 16.9 8.3 85 86 A M > - 0 0 17 -2,-3.3 3,-1.5 142,-0.1 -2,-0.1 -0.689 52.8-131.5 -90.1 144.2 -0.4 18.8 9.0 86 87 A M G > S+ 0 0 12 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.799 106.6 63.9 -67.8 -26.3 2.4 18.6 6.5 87 88 A I G 3 S+ 0 0 53 1,-0.3 -1,-0.3 7,-0.0 257,-0.0 0.647 104.0 49.4 -70.8 -12.9 4.9 17.9 9.4 88 89 A L G < S+ 0 0 41 -3,-1.5 2,-0.3 -5,-0.1 -1,-0.3 0.112 104.2 81.3-109.3 15.0 2.9 14.7 10.0 89 90 A M < - 0 0 13 -3,-1.6 -24,-0.1 -24,-0.1 -8,-0.0 -0.936 62.7-143.4-130.0 146.3 2.9 13.6 6.4 90 91 A D >> - 0 0 52 -2,-0.3 4,-1.6 1,-0.1 3,-0.6 -0.615 51.3 -50.5 -89.6 160.4 5.2 11.9 3.8 91 92 A P T 34 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.303 113.6 39.8 -53.9 154.4 5.4 12.8 0.1 92 93 A P T 3> S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.993 127.5 37.8 -79.2 -18.4 3.3 13.2 -2.1 93 94 A D H <> S+ 0 0 69 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.945 118.6 51.0 -57.2 -50.4 0.9 15.0 0.3 94 95 A H H X S+ 0 0 8 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.902 108.4 52.6 -50.7 -48.9 3.8 16.7 2.1 95 96 A T H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 110.4 47.3 -54.5 -48.8 5.2 17.9 -1.2 96 97 A R H X S+ 0 0 64 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.899 115.8 43.5 -62.5 -44.3 1.9 19.5 -2.2 97 98 A L H X S+ 0 0 2 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.944 114.5 48.6 -71.1 -45.4 1.4 21.2 1.2 98 99 A R H X S+ 0 0 64 -4,-3.0 4,-2.3 -5,-0.2 3,-0.5 0.848 108.0 56.3 -59.0 -37.2 5.0 22.5 1.5 99 100 A K H X S+ 0 0 135 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.896 102.1 56.7 -65.7 -39.8 4.9 23.8 -2.1 100 101 A L H < S+ 0 0 34 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 119.0 30.1 -48.9 -38.3 1.8 26.0 -1.3 101 102 A V H >X S+ 0 0 0 -4,-0.9 3,-0.7 -3,-0.5 4,-0.6 0.639 95.5 91.4-114.3 -18.6 3.5 27.7 1.6 102 103 A G H >< S+ 0 0 25 -4,-2.3 3,-1.9 1,-0.2 4,-0.2 0.870 84.9 51.5 -36.9 -61.7 7.1 27.7 0.4 103 104 A R G >< S+ 0 0 172 -4,-0.6 3,-1.3 1,-0.3 -1,-0.2 0.836 102.7 62.4 -53.7 -36.0 7.1 31.0 -1.4 104 105 A S G <4 S+ 0 0 24 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.634 110.3 37.8 -72.1 -15.9 5.6 32.7 1.6 105 106 A F G << S+ 0 0 16 -3,-1.9 -1,-0.3 -4,-0.6 245,-0.2 0.162 84.2 148.1-117.8 19.9 8.7 31.9 3.8 106 107 A A <> - 0 0 37 -3,-1.3 4,-2.1 -4,-0.2 5,-0.3 -0.132 60.8-109.9 -50.2 145.0 11.3 32.4 1.1 107 108 A V H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.900 116.6 42.6 -43.6 -54.2 14.7 33.7 2.3 108 109 A R H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.818 109.2 56.8 -74.4 -30.0 14.3 37.2 0.8 109 110 A R H 4 S+ 0 0 125 2,-0.2 4,-0.2 -3,-0.2 -1,-0.2 0.876 111.3 44.8 -61.5 -40.4 10.6 37.7 1.8 110 111 A M H >X S+ 0 0 2 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.890 105.8 62.4 -71.4 -39.1 11.6 37.1 5.4 111 112 A N H >< S+ 0 0 66 -4,-2.0 3,-1.0 -5,-0.3 -2,-0.2 0.837 100.8 51.5 -52.8 -39.5 14.6 39.4 5.0 112 113 A E T 3< S+ 0 0 114 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.517 97.9 66.6 -84.6 -0.8 12.4 42.3 4.2 113 114 A L T X> S+ 0 0 44 -3,-1.5 4,-2.3 -4,-0.2 3,-0.6 0.643 77.9 91.7 -79.4 -17.3 10.4 41.7 7.4 114 115 A E H S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.921 111.1 49.4 -63.0 -37.6 12.6 46.3 9.7 116 117 A R H <> S+ 0 0 85 -3,-0.6 4,-2.3 -4,-0.3 -2,-0.2 0.942 111.8 48.3 -62.6 -49.1 9.2 45.4 11.1 117 118 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.927 110.0 51.9 -50.3 -52.2 10.7 42.9 13.5 118 119 A T H X S+ 0 0 24 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.877 108.8 52.0 -57.2 -39.1 13.2 45.5 14.7 119 120 A E H X S+ 0 0 121 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.934 110.4 46.9 -60.3 -50.9 10.4 47.9 15.2 120 121 A I H X S+ 0 0 9 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.918 113.3 49.1 -58.5 -47.3 8.4 45.4 17.4 121 122 A A H >X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-0.6 0.954 112.6 46.6 -59.0 -51.6 11.6 44.6 19.4 122 123 A D H 3X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.774 105.3 63.1 -59.4 -29.6 12.4 48.3 20.0 123 124 A G H 3< S+ 0 0 49 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.869 109.2 38.5 -64.9 -39.5 8.7 48.9 20.9 124 125 A L H -E 394 0B 25 -2,-0.3 4,-1.8 259,-0.2 5,-0.1 -0.822 25.6-168.9 -87.9 110.5 9.8 38.2 33.4 136 137 A L H >>S+ 0 0 1 257,-2.5 5,-2.7 -2,-0.8 4,-1.2 0.799 79.0 57.6 -75.2 -30.7 11.7 38.2 30.1 137 138 A M H >4>S+ 0 0 7 3,-0.2 5,-3.4 4,-0.2 3,-0.6 0.996 116.3 30.3 -60.5 -64.6 10.0 35.2 28.7 138 139 A R H 345S+ 0 0 148 1,-0.2 5,-0.2 3,-0.2 -2,-0.2 0.784 127.2 43.8 -70.8 -26.2 6.4 36.5 28.9 139 140 A E H 3<5S- 0 0 71 -4,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.554 137.0 -4.6 -97.3 -6.6 7.3 40.1 28.4 140 141 A Y T S+ 0 0 16 -6,-0.4 4,-3.2 -5,-0.2 5,-0.3 0.817 99.0 56.6 -49.1 -52.7 6.0 38.6 22.3 144 145 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.942 113.9 35.7 -58.3 -58.7 8.3 38.9 19.3 145 146 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.932 119.5 50.8 -61.7 -42.7 7.6 35.5 17.6 146 147 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.974 114.4 43.1 -53.7 -61.3 3.8 35.6 18.6 147 148 A Q H X S+ 0 0 48 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.868 115.7 48.6 -50.8 -46.9 3.3 39.2 17.3 148 149 A V H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.932 112.8 45.7 -64.5 -47.6 5.3 38.5 14.1 149 150 A I H X S+ 0 0 6 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.889 111.9 53.7 -64.3 -38.3 3.6 35.2 13.2 150 151 A C H X>S+ 0 0 0 -4,-2.5 5,-3.4 -5,-0.3 4,-1.9 0.881 110.1 45.5 -62.2 -42.4 0.2 36.8 13.9 151 152 A E H <5S+ 0 0 89 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.856 115.7 48.3 -69.9 -36.5 0.8 39.8 11.6 152 153 A L H <5S+ 0 0 27 -4,-2.1 53,-2.2 -5,-0.2 -2,-0.2 0.927 118.9 37.1 -66.2 -49.3 2.1 37.4 8.9 153 154 A L H <5S- 0 0 1 -4,-3.0 53,-2.0 51,-0.2 54,-0.4 0.766 113.1-111.6 -74.9 -28.4 -0.8 34.9 9.2 154 155 A G T <5 + 0 0 15 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.829 61.5 154.0 88.2 44.9 -3.5 37.6 9.7 155 156 A V < - 0 0 10 -5,-3.4 2,-0.5 -6,-0.1 -1,-0.2 -0.914 52.9-113.5-104.8 129.5 -4.3 36.7 13.3 156 157 A P > - 0 0 36 0, 0.0 3,-2.0 0, 0.0 -5,-0.1 -0.485 21.3-151.2 -56.9 111.2 -5.8 39.3 15.6 157 158 A A G > S+ 0 0 29 -2,-0.5 3,-1.1 1,-0.3 4,-0.2 0.450 86.8 86.6 -68.4 0.9 -2.9 39.7 18.2 158 159 A E G 3 S+ 0 0 135 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.816 87.7 52.5 -59.9 -31.8 -5.7 40.6 20.6 159 160 A D G <> S+ 0 0 26 -3,-2.0 4,-1.6 1,-0.2 5,-0.4 0.259 71.6 117.2 -93.1 9.0 -5.9 36.8 21.2 160 161 A R H <> S+ 0 0 81 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.907 82.0 41.6 -38.1 -60.4 -2.2 36.3 21.9 161 162 A D H > S+ 0 0 108 -3,-0.3 4,-1.1 -4,-0.2 -1,-0.2 0.862 110.3 60.0 -59.4 -42.0 -3.0 35.1 25.5 162 163 A D H >> S+ 0 0 81 -4,-0.2 4,-0.9 1,-0.2 3,-0.6 0.953 113.2 29.6 -54.5 -63.8 -6.0 33.0 24.4 163 164 A F H 3X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.779 108.8 69.3 -76.5 -25.7 -4.5 30.5 22.0 164 165 A S H 3X S+ 0 0 13 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.2 0.800 95.8 56.0 -63.4 -30.5 -1.0 30.4 23.6 165 166 A A H S+ 0 0 41 -4,-1.3 5,-0.5 2,-0.2 -1,-0.2 0.907 109.3 43.1 -66.5 -41.9 -0.6 22.5 26.4 170 171 A L H <5S+ 0 0 32 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.781 118.9 44.1 -74.5 -28.2 0.1 20.8 23.0 171 172 A V H <5S+ 0 0 11 -4,-1.4 216,-0.3 -5,-0.1 215,-0.3 0.852 106.7 64.5 -86.3 -39.9 3.9 21.5 23.2 172 173 A D T <5S- 0 0 37 -4,-2.1 2,-1.7 212,-0.1 212,-0.3 -0.275 106.1 -87.3 -76.7 169.2 4.4 20.5 26.9 173 174 A D T 5 + 0 0 77 210,-3.0 -1,-0.1 -2,-0.0 -3,-0.1 -0.584 67.7 162.2 -82.3 81.7 3.9 17.0 28.2 174 175 A S < - 0 0 29 -2,-1.7 5,-0.1 -5,-0.5 -5,-0.0 -0.619 47.5 -82.8-100.4 156.7 0.2 17.2 29.0 175 176 A P > - 0 0 78 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.254 41.9-115.5 -51.4 146.4 -2.3 14.4 29.5 176 177 A A H > S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.838 118.3 52.6 -55.1 -35.2 -3.7 13.0 26.2 177 178 A D H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.918 105.3 53.1 -64.7 -47.4 -7.1 14.4 27.2 178 179 A D H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.837 108.5 51.0 -57.0 -37.8 -5.8 17.9 27.9 179 180 A K H X S+ 0 0 62 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.871 104.7 55.8 -71.6 -38.7 -4.2 18.1 24.5 180 181 A N H X S+ 0 0 113 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.857 107.3 50.5 -59.6 -39.1 -7.5 17.0 22.7 181 182 A A H X S+ 0 0 52 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.939 111.5 47.7 -63.3 -48.8 -9.3 19.9 24.4 182 183 A A H X S+ 0 0 3 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.911 111.5 49.3 -61.1 -45.2 -6.6 22.3 23.2 183 184 A M H X S+ 0 0 49 -4,-2.8 4,-3.8 1,-0.2 5,-0.3 0.927 110.7 51.1 -61.3 -45.7 -6.6 21.0 19.7 184 185 A G H X S+ 0 0 45 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.883 112.9 45.4 -55.8 -45.1 -10.4 21.3 19.5 185 186 A K H X S+ 0 0 109 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.929 116.3 45.9 -64.9 -47.5 -10.2 24.9 20.8 186 187 A L H X S+ 0 0 1 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.978 116.8 43.8 -56.9 -59.6 -7.4 25.7 18.3 187 188 A H H X S+ 0 0 53 -4,-3.8 4,-2.4 1,-0.2 -2,-0.2 0.916 116.7 48.4 -47.4 -51.4 -9.2 24.0 15.4 188 189 A G H X S+ 0 0 26 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.910 113.2 45.9 -60.1 -48.6 -12.5 25.6 16.5 189 190 A Y H X S+ 0 0 42 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.889 115.1 47.2 -59.0 -44.3 -10.9 29.1 16.8 190 191 A L H X S+ 0 0 1 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.824 109.4 53.3 -73.4 -32.1 -9.1 28.8 13.5 191 192 A S H X S+ 0 0 23 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.925 112.0 46.0 -63.1 -46.4 -12.2 27.5 11.7 192 193 A D H X S+ 0 0 116 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.898 112.0 50.7 -63.5 -41.5 -14.2 30.5 13.0 193 194 A L H X S+ 0 0 7 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.896 109.7 49.9 -65.9 -41.8 -11.4 32.9 12.0 194 195 A L H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.858 109.5 52.2 -65.9 -37.4 -11.2 31.5 8.5 195 196 A E H >X S+ 0 0 107 -4,-2.0 3,-1.7 1,-0.2 4,-1.0 0.971 107.4 50.4 -58.1 -56.1 -15.0 31.9 8.2 196 197 A R H 3X S+ 0 0 117 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.727 106.5 60.3 -53.0 -22.3 -14.7 35.5 9.2 197 198 A K H 3< S+ 0 0 9 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.724 93.5 60.6 -80.3 -26.3 -12.0 35.7 6.5 198 199 A R H << S+ 0 0 82 -3,-1.7 -2,-0.2 -4,-0.9 -1,-0.2 0.835 110.1 44.1 -64.4 -33.1 -14.4 34.6 3.7 199 200 A T H < S+ 0 0 117 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.846 130.4 16.4 -80.3 -37.2 -16.4 37.8 4.6 200 201 A E S < S- 0 0 119 -4,-1.3 -1,-0.3 0, 0.0 2,-0.1 -0.856 76.7-162.6-147.4 104.7 -13.5 40.2 4.9 201 202 A P - 0 0 103 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.451 5.6-169.5 -93.3 157.7 -10.0 39.4 3.5 202 203 A D - 0 0 66 2,-0.2 -48,-0.0 -2,-0.1 -5,-0.0 -0.465 40.1 -98.2-122.6-163.9 -6.5 40.9 4.2 203 204 A D S S+ 0 0 167 -2,-0.2 5,-0.1 4,-0.1 -49,-0.0 0.619 85.5 107.1 -91.1 -17.1 -3.1 40.5 2.5 204 205 A A S > S- 0 0 18 3,-0.1 4,-1.9 -53,-0.1 -51,-0.2 0.080 85.3 -93.9 -70.0 174.3 -1.8 37.9 5.0 205 206 A L H > S+ 0 0 12 -53,-2.2 4,-3.2 1,-0.2 5,-0.3 0.864 117.2 53.5 -59.1 -46.6 -1.2 34.2 4.6 206 207 A L H > S+ 0 0 0 -53,-2.0 4,-3.5 2,-0.2 5,-0.2 0.954 108.0 50.7 -57.8 -53.8 -4.6 32.8 5.8 207 208 A S H > S+ 0 0 11 -54,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.937 115.2 45.2 -40.5 -56.8 -6.6 35.0 3.5 208 209 A S H X S+ 0 0 67 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.898 115.0 45.2 -57.7 -47.1 -4.4 33.7 0.6 209 210 A L H X S+ 0 0 5 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.878 108.5 58.3 -69.9 -36.4 -4.5 30.1 1.7 210 211 A L H X S+ 0 0 8 -4,-3.5 4,-2.5 -5,-0.3 5,-0.3 0.934 105.8 49.2 -53.6 -52.0 -8.3 30.3 2.2 211 212 A A H X S+ 0 0 42 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.902 109.7 50.9 -55.3 -44.4 -8.7 31.4 -1.5 212 213 A V H X S+ 0 0 48 -4,-1.7 4,-1.2 1,-0.2 8,-0.3 0.904 111.9 50.4 -61.6 -38.0 -6.6 28.5 -2.7 213 214 A S H < S+ 0 0 7 -4,-2.3 3,-0.4 1,-0.2 7,-0.3 0.941 113.1 41.6 -63.2 -54.8 -8.7 26.2 -0.6 214 215 A D H < S+ 0 0 87 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.829 118.8 46.1 -63.1 -37.1 -12.1 27.4 -1.8 215 216 A E H < S+ 0 0 169 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.646 127.1 21.9 -88.1 -14.2 -11.0 27.6 -5.4 216 217 A D >X - 0 0 55 -4,-1.2 3,-2.4 -3,-0.4 4,-1.6 -0.580 61.2-177.0-158.5 77.7 -9.2 24.2 -5.7 217 218 A G T 34 S+ 0 0 43 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.766 85.2 58.8 -54.1 -32.6 -10.3 21.7 -3.1 218 219 A D T 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.669 105.0 49.7 -70.7 -21.0 -7.7 19.2 -4.4 219 220 A R T <4 S+ 0 0 127 -3,-2.4 2,-0.3 -7,-0.3 -2,-0.2 0.871 133.6 1.2 -83.7 -41.1 -4.9 21.6 -3.7 220 221 A L S < S- 0 0 0 -4,-1.6 -1,-0.2 -8,-0.3 -4,-0.2 -0.764 71.0-151.6-153.3 101.3 -6.0 22.4 -0.1 221 222 A S > - 0 0 43 -2,-0.3 4,-3.1 -3,-0.2 5,-0.1 -0.289 35.0-106.9 -63.5 156.1 -9.0 20.8 1.6 222 223 A Q H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.851 122.9 50.8 -51.0 -38.4 -10.8 22.8 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X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 5,-0.2 0.967 116.6 39.7 -61.0 -53.0 0.6 29.4 14.5 234 235 A I H X S+ 0 0 26 -4,-2.8 4,-1.3 1,-0.2 3,-0.2 0.948 118.1 45.1 -67.1 -52.5 2.1 26.9 16.9 235 236 A A H < S+ 0 0 45 -4,-3.2 5,-0.4 -5,-0.2 4,-0.3 0.708 105.1 73.2 -65.7 -18.0 5.6 26.7 15.2 236 237 A G H X S+ 0 0 8 -4,-0.8 4,-0.5 -5,-0.4 3,-0.2 0.986 116.5 5.4 -53.2 -67.1 5.2 30.5 15.2 237 238 A H H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.2 2,-0.4 0.949 116.4 68.3 -90.0 -52.9 5.7 31.2 18.9 238 239 A E H < S+ 0 0 4 -4,-1.3 -1,-0.1 -5,-0.2 -3,-0.1 0.307 108.5 37.6 -59.2 8.6 6.6 28.0 20.7 239 240 A T H >> S+ 0 0 42 -2,-0.4 4,-1.1 -4,-0.3 3,-0.9 0.657 114.6 44.1-122.7 -58.1 10.1 27.7 19.1 240 241 A T H >X S+ 0 0 7 -4,-0.5 4,-2.6 -5,-0.4 3,-0.7 0.895 104.0 67.8 -59.1 -38.9 11.7 31.1 18.6 241 242 A V H 3X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.900 104.5 44.0 -44.8 -43.8 10.6 32.0 22.1 242 243 A N H <> S+ 0 0 0 -3,-0.9 4,-2.2 -5,-0.3 5,-0.3 0.680 106.3 58.0 -84.7 -19.5 13.1 29.4 23.4 243 244 A L H X + 0 0 48 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